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{
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{
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{
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"structure_string": "Sr4 Ir3 O10\n1.0\n-1.993588 1.993588 14.389768\n1.993588 -1.993588 14.389768\n1.993588 1.993588 -14.389768\nSr Ir O\n4 3 10\ndirect\n0.298314 0.298314 0.000000 Sr\n0.701686 0.701686 0.000000 Sr\n0.431096 0.431096 0.000000 Sr\n0.568904 0.568904 0.000000 Sr\n0.142510 0.142510 0.000000 Ir\n0.857490 0.857490 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.212989 0.212989 0.000000 O\n0.787011 0.787011 0.000000 O\n0.637121 0.137121 0.500000 O\n0.362879 0.862879 0.500000 O\n0.137121 0.637121 0.500000 O\n0.862879 0.362879 0.500000 O\n0.069756 0.069756 0.000000 O\n0.930244 0.930244 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Mg30 Cd1 Fe1 O32\n1.0\n8.576925 0.000000 0.000000\n0.000000 8.576925 0.000000\n0.000000 0.000000 8.562230\nMg Cd Fe O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253389 0.000000 0.247914 Mg\n0.253389 0.000000 0.752086 Mg\n0.746611 0.000000 0.247914 Mg\n0.746611 0.000000 0.752086 Mg\n0.249979 0.500000 0.249764 Mg\n0.249979 0.500000 0.750236 Mg\n0.750021 0.500000 0.249764 Mg\n0.750021 0.500000 0.750236 Mg\n0.000000 0.253389 0.247914 Mg\n0.000000 0.253389 0.752086 Mg\n0.500000 0.249979 0.249764 Mg\n0.500000 0.249979 0.750236 Mg\n0.000000 0.746611 0.247914 Mg\n0.000000 0.746611 0.752086 Mg\n0.500000 0.750021 0.249764 Mg\n0.500000 0.750021 0.750236 Mg\n0.249605 0.249605 0.000000 Mg\n0.252175 0.252175 0.500000 Mg\n0.750395 0.249605 0.000000 Mg\n0.747825 0.252175 0.500000 Mg\n0.249605 0.750395 0.000000 Mg\n0.252175 0.747825 0.500000 Mg\n0.750395 0.750395 0.000000 Mg\n0.747825 0.747825 0.500000 Mg\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Fe\n0.000000 0.257589 0.000000 O\n0.000000 0.263400 0.500000 O\n0.500000 0.250819 0.000000 O\n0.500000 0.251712 0.500000 O\n0.000000 0.742411 0.000000 O\n0.000000 0.736600 0.500000 O\n0.500000 0.749181 0.000000 O\n0.500000 0.748288 0.500000 O\n0.249145 0.249145 0.250496 O\n0.249145 0.249145 0.749504 O\n0.750855 0.249145 0.250496 O\n0.750855 0.249145 0.749504 O\n0.249145 0.750855 0.250496 O\n0.249145 0.750855 0.749504 O\n0.750855 0.750855 0.250496 O\n0.750855 0.750855 0.749504 O\n0.000000 0.000000 0.237415 O\n0.000000 0.000000 0.762585 O\n0.500000 0.000000 0.249041 O\n0.500000 0.000000 0.750959 O\n0.000000 0.500000 0.249041 O\n0.000000 0.500000 0.750959 O\n0.500000 0.500000 0.250009 O\n0.500000 0.500000 0.749991 O\n0.257589 0.000000 0.000000 O\n0.263400 0.000000 0.500000 O\n0.742411 0.000000 0.000000 O\n0.736600 0.000000 0.500000 O\n0.250819 0.500000 0.000000 O\n0.251712 0.500000 0.500000 O\n0.749181 0.500000 0.000000 O\n0.748288 0.500000 0.500000 O\n",
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{
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{
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{
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{
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"structure_string": "Sr2 Co1 O3\n1.0\n2.515062 2.480849 0.000000\n-2.515062 2.480849 0.000000\n0.000000 1.055643 10.853887\nSr Co O\n2 1 3\ndirect\n0.455802 0.455802 0.708269 Sr\n0.544198 0.544198 0.291731 Sr\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 O\n0.959704 0.959704 0.689922 O\n0.040296 0.040296 0.310078 O\n",
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"elements": [
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"Co",
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],
"chemical_system": "Co-O-Sr",
"density": 3.459375971314559,
"density_atomic": 0.0442982869646671,
"volume": 135.44541812160094,
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"formula_full": "Sr2 Co1 O3",
"formula_reduced": "Sr2CoO3",
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{
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"created_at": "2022-09-04T14:46:13.461031Z",
"structure_string": "Eu2 Tl1 Zn1\n1.0\n0.000000 3.884576 3.884576\n3.884576 0.000000 3.884576\n3.884576 3.884576 0.000000\nEu Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
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"elements": [
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"density": 8.126217660326535,
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"volume": 117.2359652760261,
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"formula_full": "Eu2 Tl1 Zn1",
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"updated_at": "2021-11-28T01:37:28.720000Z",
"spacegroup": 225
},
{
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"created_at": "2022-09-04T14:46:16.113995Z",
"structure_string": "Sr6 Mg2 Ir2 O12\n1.0\n4.677166 -4.866909 0.000000\n4.677166 4.866909 0.000000\n-0.387185 0.000000 6.738900\nSr Mg Ir O\n6 2 2 12\ndirect\n0.614037 0.250000 0.885963 Sr\n0.885963 0.614037 0.250000 Sr\n0.750000 0.114037 0.385963 Sr\n0.385963 0.750000 0.114037 Sr\n0.114037 0.385963 0.750000 Sr\n0.250000 0.885963 0.614037 Sr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.595610 0.787001 0.463393 O\n0.463393 0.595610 0.787001 O\n0.787001 0.463393 0.595610 O\n0.904390 0.036607 0.712999 O\n0.712999 0.904390 0.036607 O\n0.036607 0.712999 0.904390 O\n0.404390 0.212999 0.536607 O\n0.536607 0.404390 0.212999 O\n0.212999 0.536607 0.404390 O\n0.095610 0.963393 0.287001 O\n0.963393 0.287001 0.095610 O\n0.287001 0.095610 0.963393 O\n",
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"elements": [
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],
"chemical_system": "Ir-Mg-O-Sr",
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"density_atomic": 0.07170800883819893,
"volume": 306.7997613717113,
"volume_molar": 8.398142491431164,
"formula_full": "Sr6 Mg2 Ir2 O12",
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"formula_anonymous": "ABC3D6",
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"updated_at": "2021-11-28T01:37:27.303000Z",
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]
}